1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H14F3N5 — CID 139296036

IUPAC1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(C(F)(F)F)nn2C1CCCCC1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)9-8-10(16)17-6-18-11(8)20(19-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,16,17,18)
InChIKeyWSBCVDQMOXGRHP-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.93
Rot. Bonds1

About 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139296036) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139296036
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(C(F)(F)F)nn2C1CCCCC1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)9-8-10(16)17-6-18-11(8)20(19-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,16,17,18)
InChIKeyWSBCVDQMOXGRHP-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
CID 137148836
3-(3-Methylbut-3-en-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523452
3-(3,3-Dimethylbut-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523453
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70751994
1-(Cyclopentylmethyl)-3-[3-(4-methylpiperidin-1-yl)prop-1-ynyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 172456449
N-cyclohexyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816921
1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70765313
6-Chloro-4-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidine
CID 57654271
1-tert-butyl-4-chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 86619396
2-Methyl-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 89691412

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 139296036) is 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(C(F)(F)F)nn2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WSBCVDQMOXGRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c13-12(14,15)9-8-10(16)17-6-18-11(8)20(19-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139296036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).